Morellin

CAS Registry Number®

1183-12-6
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CAS Name

Morellin

Molecular Formula

C33H36O7

Molecular Mass

544.63

Cite this Page

Morellin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1183-12-6 (retrieved 2024-09-07) (CAS RN: 1183-12-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154 °C

  • Density (2)

    1.234 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C33H36O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,14,16,19,23,35H,9,13,15H2,1-7H3/b18-10-/t19?,23-,32-,33+/m0/s1

InChIKey

InChIKey=COQAPWLZSHQTKA-MNVXDNCLSA-N

SMILES

C(/C=C(\C=O)/C)[C@@]12[C@]34C(C(=O)C=5C(O3)=C(CC=C(C)C)C6=C(C5O)C=CC(C)(C)O6)=CC(C1=O)(C[C@]4(C(C)(C)O2)[H])[H]

Canonical SMILES

O=CC(=CCC12OC(C)(C)C3CC(C=C4C(=O)C5=C(O)C=6C=CC(OC6C(=C5OC431)CC=C(C)C)(C)C)C2=O)C

Other Names for this Substance

  • 2-Butenal, 2-methyl-4-[(1R,3aS,5S,14aS)-3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-buten-1-yl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, (2Z)-
  • 1,5-Methano-11H-furo[3,2-g]pyrano[3,2-b]xanthene-3a(4H)-crotonaldehyde, 1,2,5,7-tetrahydro-8-hydroxy-α,2,2,11,11-pentamethyl-13-(3-methyl-2-butenyl)-4,7-dioxo-, trans-
  • 2-Butenal, 2-methyl-4-[3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, [1R-[1α,1(Z),3aβ,5α,14aS*]]-
  • 1,5-Methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthene-1-crotonaldehyde, 3a,4,5,7-tetrahydro-8-hydroxy-α,3,3,11,11-pentamethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-
  • 2-Butenal, 2-methyl-4-[(1R,3aS,5S,14aS)-3a,4,5,7-tetrahydro-8-hydroxy-3,3,11,11-tetramethyl-13-(3-methyl-2-butenyl)-7,15-dioxo-1,5-methano-1H,3H,11H-furo[3,4-g]pyrano[3,2-b]xanthen-1-yl]-, (2Z)-

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Deleted or Replaced CAS Registry Numbers

11019-80-0